3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

C18H28N4O2 — CID 86773884

IUPAC3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(NCC2CCN(CCC(=O)N3CCOCC3)C2)nc1
InChIInChI=1S/C18H28N4O2/c1-15-2-3-17(19-12-15)20-13-16-4-6-21(14-16)7-5-18(23)22-8-10-24-11-9-22/h2-3,12,16H,4-11,13-14H2,1H3,(H,19,20)
InChIKeyDGCSBCLJRKJKND-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.37
Rot. Bonds6

About 3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 86773884) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID86773884
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(NCC2CCN(CCC(=O)N3CCOCC3)C2)nc1
InChIInChI=1S/C18H28N4O2/c1-15-2-3-17(19-12-15)20-13-16-4-6-21(14-16)7-5-18(23)22-8-10-24-11-9-22/h2-3,12,16H,4-11,13-14H2,1H3,(H,19,20)
InChIKeyDGCSBCLJRKJKND-UHFFFAOYSA-N
XLogP1.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 86773884) is 3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is Cc1ccc(NCC2CCN(CCC(=O)N3CCOCC3)C2)nc1.
What is the InChIKey of 3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is DGCSBCLJRKJKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-2-3-17(19-12-15)20-13-16-4-6-21(14-16)7-5-18(23)22-8-10-24-11-9-22/h2-3,12,16H,4-11,13-14H2,1H3,(H,19,20).
What are the key properties of 3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 332.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 86773884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).